acetic acid (CHEBI:15366)

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CHEBI:15366 - acetic acid

ChEBI ID	CHEBI:15366
ChEBI Name	acetic acid
Stars
Definition	A simple monocarboxylic acid containing two carbons.
Secondary ChEBI IDs	CHEBI:2387, CHEBI:22169, CHEBI:40486
Last Modified	17 August 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C2H4O2
Net Charge	0
Average Mass	60.052
Monoisotopic Mass	60.02113
SMILES	CC(=O)O
InChI	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey	QTBSBXVTEAMEQO-UHFFFAOYSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Daphnia magna (ncbitaxon:35525)	-	PubMed (20117838)

Roles Classification

Chemical Roles:	protic solvent A polar solvent that is capable of acting as a hydron (proton) donor. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	antimicrobial food preservative A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299). Daphnia magna metabolite A Daphnia metabolite produced by the species Daphnia magna. food acidity regulator A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents.
Applications:	antimicrobial food preservative A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299). protic solvent A polar solvent that is capable of acting as a hydron (proton) donor. food acidity regulator A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents.

ChEBI Ontology

Outgoing Relation(s)
	acetic acid (CHEBI:15366) has role Daphnia magna metabolite (CHEBI:83056)
	acetic acid (CHEBI:15366) has role antimicrobial food preservative (CHEBI:65256)
	acetic acid (CHEBI:15366) has role food acidity regulator (CHEBI:64049)
	acetic acid (CHEBI:15366) has role protic solvent (CHEBI:48356)
	acetic acid (CHEBI:15366) is a monocarboxylic acid (CHEBI:25384)
	acetic acid (CHEBI:15366) is conjugate acid of acetate (CHEBI:30089)
Incoming Relation(s)
	(1-hydroxycyclohexyl)acetic acid (CHEBI:37276) has functional parent acetic acid (CHEBI:15366)
	(2-hydroxyphenyl)acetic acid (CHEBI:28478) has functional parent acetic acid (CHEBI:15366)
	(2,2,2-trifluoroethoxy)acetic acid (CHEBI:60702) has functional parent acetic acid (CHEBI:15366)
	(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045) has functional parent acetic acid (CHEBI:15366)
	(2,6-dihydroxyphenyl)acetic acid (CHEBI:952) has functional parent acetic acid (CHEBI:15366)
	(2S)-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid (CHEBI:46520) has functional parent acetic acid (CHEBI:15366)
	(2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)acetic acid (CHEBI:40208) has functional parent acetic acid (CHEBI:15366)
	(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid (CHEBI:40833) has functional parent acetic acid (CHEBI:15366)
	(3-amino-2,5-dioxopyrrolidin-1-yl)acetic acid (CHEBI:45890) has functional parent acetic acid (CHEBI:15366)
	(3-chloro-4-hydroxyphenyl)acetic acid (CHEBI:47106) has functional parent acetic acid (CHEBI:15366)
	(3Z)-hex-3-en-1-yl acetate (CHEBI:61316) has functional parent acetic acid (CHEBI:15366)
	(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid (CHEBI:46609) has functional parent acetic acid (CHEBI:15366)
	(5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid (CHEBI:43373) has functional parent acetic acid (CHEBI:15366)
	[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid (CHEBI:64899) has functional parent acetic acid (CHEBI:15366)
	[(2S,4S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-4-ylmethyl)-5-oxoimidazolidin-1-yl]acetic acid (CHEBI:41707) has functional parent acetic acid (CHEBI:15366)
	[(2S,4S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid (CHEBI:41749) has functional parent acetic acid (CHEBI:15366)
	[(2S,4S)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid (CHEBI:41383) has functional parent acetic acid (CHEBI:15366)
	[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid (CHEBI:59660) has functional parent acetic acid (CHEBI:15366)
	{(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid (CHEBI:41360) has functional parent acetic acid (CHEBI:15366)
	{(2R)-2-[(1S)-1-aminoethyl]-2-hydroxy-4-methylidene-5-oxoimidazolidin-1-yl}acetic acid (CHEBI:41608) has functional parent acetic acid (CHEBI:15366)
	{[5-(3-{[1-(benzylsulfonyl)piperidin-4-yl]amino}phenyl)-4-bromo-2-(2H-tetrazol-5-yl)thiophen-3-yl]oxy}acetic acid (CHEBI:47182) has functional parent acetic acid (CHEBI:15366)
	{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid (CHEBI:43741) has functional parent acetic acid (CHEBI:15366)
	{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]-1,2-thiazol-2(1H)-yl}acetic acid (CHEBI:43485) has functional parent acetic acid (CHEBI:15366)
	N-acetyl-amino acid (CHEBI:21575) has functional parent acetic acid (CHEBI:15366)
	N-phenylacetamide (CHEBI:28884) has functional parent acetic acid (CHEBI:15366)
	O-acetylcarnitine (CHEBI:73024) has functional parent acetic acid (CHEBI:15366)
	1-O-palmityl-2-acetyl-sn-glycerol (CHEBI:75936) has functional parent acetic acid (CHEBI:15366)
	1-alkyl-2-acetylglycerol (CHEBI:75882) has functional parent acetic acid (CHEBI:15366)
	1-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine (CHEBI:79280) has functional parent acetic acid (CHEBI:15366)
	1-methyl-4-imidazoleacetic acid (CHEBI:1606) has functional parent acetic acid (CHEBI:15366)
	1-palmitoyl-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:75219) has functional parent acetic acid (CHEBI:15366)
	1-palmityl-2-acetyl-sn-glycero-3-phosphate (CHEBI:79277) has functional parent acetic acid (CHEBI:15366)
	1-stearoyl-2-acetyl-sn-glycero-3-phosphocholine (CHEBI:75220) has functional parent acetic acid (CHEBI:15366)
	2-acetyl-sn-glycero-3-phosphocholine (CHEBI:78045) has functional parent acetic acid (CHEBI:15366)
	2-thienylacetic acid (CHEBI:45807) has functional parent acetic acid (CHEBI:15366)
	2H-imidazol-4-ylacetic acid (CHEBI:43615) has functional parent acetic acid (CHEBI:15366)
	3-hydroxyphenylacetic acid (CHEBI:17445) has functional parent acetic acid (CHEBI:15366)
	3-methylphenylacetic acid (CHEBI:88356) has functional parent acetic acid (CHEBI:15366)
	4-chlorophenylacetic acid (CHEBI:30749) has functional parent acetic acid (CHEBI:15366)
	4-hydroxyphenylacetic acid (CHEBI:18101) has functional parent acetic acid (CHEBI:15366)
	6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid (CHEBI:40145) has functional parent acetic acid (CHEBI:15366)
	acetamidine (CHEBI:38478) has functional parent acetic acid (CHEBI:15366)
	acetate ester (CHEBI:47622) has functional parent acetic acid (CHEBI:15366)
	acetimidic acid (CHEBI:49028) has functional parent acetic acid (CHEBI:15366)
	acetyl chloride (CHEBI:37580) has functional parent acetic acid (CHEBI:15366)
	acetyl-CoA (CHEBI:15351) has functional parent acetic acid (CHEBI:15366)
	arsenoacetic acid (CHEBI:22634) has functional parent acetic acid (CHEBI:15366)
	biphenyl-4-ylacetic acid (CHEBI:31597) has functional parent acetic acid (CHEBI:15366)
	bis(4-chlorophenyl)acetic acid (CHEBI:28139) has functional parent acetic acid (CHEBI:15366)
	chloroacetic acid (CHEBI:27869) has functional parent acetic acid (CHEBI:15366)
	cyanoacetic acid (CHEBI:51889) has functional parent acetic acid (CHEBI:15366)
	cyclohexylacetic acid (CHEBI:37277) has functional parent acetic acid (CHEBI:15366)
	dibromoacetic acid (CHEBI:90124) has functional parent acetic acid (CHEBI:15366)
	dichloroacetic acid (CHEBI:36386) has functional parent acetic acid (CHEBI:15366)
	diflorasone diacetate (CHEBI:31483) has functional parent acetic acid (CHEBI:15366)
	difluoroacetic acid (CHEBI:23716) has functional parent acetic acid (CHEBI:15366)
	diphenylacetic acid (CHEBI:41967) has functional parent acetic acid (CHEBI:15366)
	etacrynic acid (CHEBI:4876) has functional parent acetic acid (CHEBI:15366)
	glycolic acid (CHEBI:17497) has functional parent acetic acid (CHEBI:15366)
	haloacetic acid (CHEBI:16277) has functional parent acetic acid (CHEBI:15366)
	hydroxy(phenyl)2-thienylacetic acid (CHEBI:64444) has functional parent acetic acid (CHEBI:15366)
	ibufenac (CHEBI:76158) has functional parent acetic acid (CHEBI:15366)
	imidazol-1-ylacetic acid (CHEBI:70801) has functional parent acetic acid (CHEBI:15366)
imidazol-2-ylacetic acid (CHEBI:70806) has functional parent acetic acid (CHEBI:15366)
imidazol-4-ylacetic acid (CHEBI:16974) has functional parent acetic acid (CHEBI:15366)
imidazol-5-ylacetic acid (CHEBI:70804) has functional parent acetic acid (CHEBI:15366)
indole-1-acetic acid (CHEBI:72814) has functional parent acetic acid (CHEBI:15366)
indole-3-acetic acids (CHEBI:24803) has functional parent acetic acid (CHEBI:15366)
lonazolac (CHEBI:76164) has functional parent acetic acid (CHEBI:15366)
magnesium acetate (CHEBI:62964) has functional parent acetic acid (CHEBI:15366)
mandelic acid (CHEBI:35825) has functional parent acetic acid (CHEBI:15366)
methoxyacetic acid (CHEBI:132098) has functional parent acetic acid (CHEBI:15366)
naphthylacetic acid (CHEBI:35629) has functional parent acetic acid (CHEBI:15366)
peracetic acid (CHEBI:42530) has functional parent acetic acid (CHEBI:15366)
phenylacetic acid (CHEBI:30745) has functional parent acetic acid (CHEBI:15366)
phosphonoacetic acid (CHEBI:15732) has functional parent acetic acid (CHEBI:15366)
phosphonoacetohydroxamic acid (CHEBI:44692) has functional parent acetic acid (CHEBI:15366)
pirinixic acid (CHEBI:32509) has functional parent acetic acid (CHEBI:15366)
sulfoacetic acid (CHEBI:50519) has functional parent acetic acid (CHEBI:15366)
sulindac (CHEBI:9352) has functional parent acetic acid (CHEBI:15366)
triacetin (CHEBI:9661) has functional parent acetic acid (CHEBI:15366)
trichloroacetic acid (CHEBI:30956) has functional parent acetic acid (CHEBI:15366)
trifluoroacetic acid (CHEBI:45892) has functional parent acetic acid (CHEBI:15366)
uracil-6-ylacetic acid (CHEBI:46371) has functional parent acetic acid (CHEBI:15366)
zomepirac (CHEBI:35859) has functional parent acetic acid (CHEBI:15366)
acetate (CHEBI:30089) is conjugate base of acetic acid (CHEBI:15366)
acetyl group (CHEBI:40574) is substituent group from acetic acid (CHEBI:15366)
acetyloxy group (CHEBI:48076) is substituent group from acetic acid (CHEBI:15366)
carboxymethyl group (CHEBI:41402) is substituent group from acetic acid (CHEBI:15366)
methylenecarbonyl group (CHEBI:43923) is substituent group from acetic acid (CHEBI:15366)

IUPAC Name
acetic acid

Synonyms	Source
Acetic acid	KEGG COMPOUND
Ethanoic acid	KEGG COMPOUND
ACETIC ACID	PDBeChem
CH₃‒COOH	IUPAC
ethoic acid	ChEBI
Essigsäure	ChEBI

Manual Xrefs	Databases
C00033	KEGG COMPOUND
ACY	PDBeChem
LMFA01010002	LIPID MAPS
HMDB0000042	HMDB
Acetic_acid	Wikipedia
ACET	MetaCyc
ACT	PDBeChem
C00001176	KNApSAcK
D00010	KEGG DRUG
4211	DrugCentral
1333	PPDB

Registry Numbers	Sources
Gmelin:1380	Gmelin
Reaxys:506007	Reaxys
CAS:64-19-7	KEGG COMPOUND
CAS:64-19-7	ChemIDplus
CAS:64-19-7	NIST Chemistry WebBook

Citations